Cas no 2137028-35-2 (2-Pyridinamine, 3-bromo-5-chloro-6-(trifluoromethyl)-)
2137028-35-2 structure
Product Name:2-Pyridinamine, 3-bromo-5-chloro-6-(trifluoromethyl)-
CAS No:2137028-35-2
MF:C6H3BrClF3N2
MW:275.453629732132
CID:6636239
PubChem ID:132004614
Update Time:2024-01-05
2-Pyridinamine, 3-bromo-5-chloro-6-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinamine, 3-bromo-5-chloro-6-(trifluoromethyl)-
- 3-Bromo-5-chloro-6-(trifluoromethyl)pyridin-2-amine
- CS-0159303
- 2137028-35-2
- SCHEMBL19456707
- ZKSQWLPWIYWEHP-UHFFFAOYSA-N
-
- Inchi： 1S/C6H3BrClF3N2/c7-2-1-3(8)4(6(9,10)11)13-5(2)12/h1H,(H2,12,13)
- InChI Key： ZKSQWLPWIYWEHP-UHFFFAOYSA-N
- SMILES： C1(N)=NC(C(F)(F)F)=C(Cl)C=C1Br
Computed Properties
- Exact Mass: 273.91202g/mol
- Monoisotopic Mass: 273.91202g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 189
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 38.9?2
Experimental Properties
- Density: 1.879±0.06 g/cm3(Predicted)
- Boiling Point: 265.2±40.0 °C(Predicted)
- pka: -0.95±0.10(Predicted)
2-Pyridinamine, 3-bromo-5-chloro-6-(trifluoromethyl)- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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